SCHEMBL2394813

SCHEMBL2394813

CC(C)(C)OC(=O)N1CCN(c2ccc3c(=O)c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4oc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PDK2 Q15119 1/20 0.49
▸ GPR119 Q8TDV5 8/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21113046 0.95 MAPT (0.49) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL14304472 0.86 ALDH1A1 (0.55) MAPTALDH1A1LMNAGPR119CA12
SCHEMBL3201431 0.86 CA12 (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL19644239 0.83 PDK2 (0.45) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL29547579 0.83 PDK2 (0.45) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL15066104 0.82 ALDH1A1 (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL28716306 0.80 MAPT (0.46) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL29433670 0.80 MAPT (0.46) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL24793535 0.80 LMNA (0.50) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL24794177 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNAPDK2GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2011-09-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER LTB4R, LTB4R2, NR1H3 MAPT 4883/4885ALDH1A1 379/4885LMNA 2105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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